[Wien] Problem with qtl program in wien2k-13

[Elias Assmann]

Hi List,

I am resurrecting this discussion because I think I can confirm the 
error reported by Bambang, and it is not because of $SCRATCH problems or 
similar.

In qtlmain.f, VECFN is declared as

       CHARACTER*80     VECFN
       COMMON /PROC/    VECFN(2)

I am not sure what the COMMON declaration (with “(2)”) does in this 
case, but anyway, on line 108, VECFN(is) is passed as OLDNAM to MKNAM(), 
which expects a CHARACTER*180.  After this call, FNAME contains 
something like “./Si.vector 
                         ./Si.vectordn” instead of just “./Si.vector”, 
and the OPEN() on line 112 fails.  The problem does not show up in 
qtl.error because FNAME is only printed as “A50”.

This problem can be fixed for instance by changing the argument 
declaration of MKNAM() to

       CHARACTER(len=*), intent(out) :: FNAME
       CHARACTER(len=*), intent(in)  :: OLDNAM


But then l2main.f also has

       COMMON /PROC/    VECFN(2)

but a different length

       CHARACTER *180    VECFN,FNAME,qtlfn

which leads to a similar problem (line 141 of that file).  If I also 
make the lengths of VECFN consistent, everything seems to work.


Another thing I noticed is that qtlpara has

set exe = $bin/qtl
set exe = qtl

such that it will execute the ‘qtl’ it finds in $PATH rather than the 
one in its directory, contrary to the behavior of ‘x’.

Best,

	Elias

On 10/29/2013 12:59 AM, B. Prijamboedi wrote:
> I have installed wien2k ver. 13 in a cluster computer. which consists of
> several nodes and compiled with ifort compiler and using local scratch
> folder. I tested the package in our system using TiC structure.
> Everything is running well except when I run "x qtl -p" or "x qtl
> -telnes -p" and I got the following error:
>
> running QTL in parallel mode
> calculating QTL's from parallel vectors
> QTL - Error
> 0.000u 0.000s 0:00.02 0.0%	0+0k 0+56io 0pf+0w
>
> The error file showed:
>
>   'QTL' - can't open unit:  9
>   'QTL' -        filename: /home/wfile/wscra/wsboedi/tic.vector
>   'QTL' -          status: UNKNOWN      form: UNFORMATTED
>
> I tried to find the error, but I cannot determine it. However, when I
> switched back to wien2k ver. 12 and run the same command on the same
> case (folder), the qtl program of wien2k ver. 12 run perfectly.